1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine

C12H23N5O2S — CID 105357945

IUPAC1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
SMILESCCCN1CCN(S(=O)(=O)c2c(N)nn(C)c2C)CC1
InChIInChI=1S/C12H23N5O2S/c1-4-5-16-6-8-17(9-7-16)20(18,19)11-10(2)15(3)14-12(11)13/h4-9H2,1-3H3,(H2,13,14)
InChIKeyGOOPINYXMSEHRE-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.03
Rot. Bonds4

About 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine

1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 105357945) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
PubChem CID105357945
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine
SMILESCCCN1CCN(S(=O)(=O)c2c(N)nn(C)c2C)CC1
InChIInChI=1S/C12H23N5O2S/c1-4-5-16-6-8-17(9-7-16)20(18,19)11-10(2)15(3)14-12(11)13/h4-9H2,1-3H3,(H2,13,14)
InChIKeyGOOPINYXMSEHRE-UHFFFAOYSA-N
XLogP0.03
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
4-(3,3-dimethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105358968
2-[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 105359381
4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1,5-dimethylpyrazol-3-amine
CID 105359252
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
CID 105359185
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317535
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208278
1-(cyclobutylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 126840769
5-methyl-3-[[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 8841146

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine (CID 105357945) is 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine is CCCN1CCN(S(=O)(=O)c2c(N)nn(C)c2C)CC1.
What is the InChIKey of 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is GOOPINYXMSEHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-4-5-16-6-8-17(9-7-16)20(18,19)11-10(2)15(3)14-12(11)13/h4-9H2,1-3H3,(H2,13,14).
What are the key properties of 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine?
1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 301.42 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(4-propylpiperazin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 105357945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).